SCHEMBL8052173

SCHEMBL8052173

C=CCCC1=CCC(c2ccc(CCCCC)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.47
SPHK2 Q9NRA0 7/20 0.42
THRA P10827 4/20 0.37
THRB P10828 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8037908 0.99 SPHK1 (0.46) SPHK1SPHK2THRATHRBMEN1
SCHEMBL8049016 0.96 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL8050104 0.91 SPHK1 (0.35) SPHK1SPHK2THRB
SCHEMBL8047557 0.90 SPHK1 (0.35) SPHK1SPHK2THRB
SCHEMBL8055238 0.88 SPHK1 (0.33) SPHK1SPHK2THRB
SCHEMBL8047566 0.85 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL8054980 0.84
SCHEMBL8052446 0.84 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8052450 0.84 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8037958 0.82 LSS (0.33) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
US-5698136-A LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-16 US disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed